5-methoxy-9-methyl-7-methylidenedecan-3-one

C13H24O2 — CID 166967382

IUPAC5-methoxy-9-methyl-7-methylidenedecan-3-one
SMILESC=C(CC(C)C)CC(CC(=O)CC)OC
InChIInChI=1S/C13H24O2/c1-6-12(14)9-13(15-5)8-11(4)7-10(2)3/h10,13H,4,6-9H2,1-3,5H3
InChIKeyYULRMHHADNVYNG-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.36
Rot. Bonds8

About 5-methoxy-9-methyl-7-methylidenedecan-3-one

5-methoxy-9-methyl-7-methylidenedecan-3-one (PubChem CID 166967382) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 5-methoxy-9-methyl-7-methylidenedecan-3-one.

Molecular Properties

Compound Name5-methoxy-9-methyl-7-methylidenedecan-3-one
PubChem CID166967382
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name5-methoxy-9-methyl-7-methylidenedecan-3-one
SMILESC=C(CC(C)C)CC(CC(=O)CC)OC
InChIInChI=1S/C13H24O2/c1-6-12(14)9-13(15-5)8-11(4)7-10(2)3/h10,13H,4,6-9H2,1-3,5H3
InChIKeyYULRMHHADNVYNG-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-9-methyl-7-methylidenedecan-3-one?
The IUPAC name of 5-methoxy-9-methyl-7-methylidenedecan-3-one (CID 166967382) is 5-methoxy-9-methyl-7-methylidenedecan-3-one.
What is the SMILES notation for 5-methoxy-9-methyl-7-methylidenedecan-3-one?
The canonical SMILES for 5-methoxy-9-methyl-7-methylidenedecan-3-one is C=C(CC(C)C)CC(CC(=O)CC)OC.
What is the InChIKey of 5-methoxy-9-methyl-7-methylidenedecan-3-one?
The InChIKey is YULRMHHADNVYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-6-12(14)9-13(15-5)8-11(4)7-10(2)3/h10,13H,4,6-9H2,1-3,5H3.
What are the key properties of 5-methoxy-9-methyl-7-methylidenedecan-3-one?
5-methoxy-9-methyl-7-methylidenedecan-3-one has a molecular weight of 212.33 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-9-methyl-7-methylidenedecan-3-one is sourced from PubChem (CID 166967382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).